BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 17907

Title: NMR structure of HMG-ACPI domain from CurA module from Lyngbya majuscula   PubMed: 22103656

Deposition date: 2011-09-01 Original release date: 2012-02-01

Authors: Busche, Alena; Gottstein, Daniel; Hein, Christopher; Ripin, Nina; Pader, Irina; Gu, Liangcai; Walsh, Christopher; Sherman, David; Loehr, Frank; Guentert, Peter; Doetsch, Volker

Citation: Busche, Alena; Gottstein, Daniel; Hein, Christopher; Ripin, Nina; Pader, Irina; Tufar, Peter; Eisman, Eli; Gu, Liangcai; Walsh, Christopher; Sherman, David; Lohr, Frank; Guntert, Peter; Dotsch, Volker. "Characterization of molecular interactions between ACP and halogenase domains in the Curacin A polyketide synthase."  ACS Chem. Biol. 7, 378-386 (2012).

Assembly members:
HMG_ACPI, polymer, 99 residues, 11267.605 Da.
PNS, non-polymer, 358.348 Da.
MAH, non-polymer, 162.141 Da.

Natural source:   Common Name: Lyngbya majuscula   Taxonomy ID: 158786   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Lyngbya majuscula

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
HMG_ACPI: SGLVPRGSHMTPQVNQVNLS EIKQVLKQQLAEALYTEESE IAEDQKFVDLGLDXIVGVEW TTTINQTYNLNLKATKLYDY PTLLELSGYIAQILSSQGT

Data sets:
Data typeCount
13C chemical shifts418
15N chemical shifts108
1H chemical shifts710

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1HMG_ACPI1
2PNS2
3MAH3

Entities:

Entity 1, HMG_ACPI 99 residues - 11267.605 Da.

1   SERGLYLEUVALPROARGGLYSERHISMET
2   THRPROGLNVALASNGLNVALASNLEUSER
3   GLUILELYSGLNVALLEULYSGLNGLNLEU
4   ALAGLUALALEUTYRTHRGLUGLUSERGLU
5   ILEALAGLUASPGLNLYSPHEVALASPLEU
6   GLYLEUASPSRAILEVALGLYVALGLUTRP
7   THRTHRTHRILEASNGLNTHRTYRASNLEU
8   ASNLEULYSALATHRLYSLEUTYRASPTYR
9   PROTHRLEULEUGLULEUSERGLYTYRILE
10   ALAGLNILELEUSERSERGLNGLYTHR

Entity 2, PNS - C11 H23 N2 O7 P S - 358.348 Da.

1   PNS

Entity 3, MAH - C6 H10 O5 - 162.141 Da.

1   MAH

Samples:

holo-ACPI_15N: HMG_ACPI, [U-98% 15N], 1 mM; D2O 5%; DSS 0.15 mM; Glutamate 50 mM; Arginine 50 mM; H2O 95%

holo-ACPI_13C: HMG_ACPI, [U-13C], 1 mM; D2O 5%; DSS 0.15 mM; Arginine 50 mM; Glutamate 50 mM; H2O 95%

HMG-ACPI_(15N_13C): HMG_ACPI, [U-13C] and [U-N15], 1 mM; D2O 0.15 mM; DSS 5%; NaCL 50 mM; NaPi 25 mM; H2O 95%

holo-ACPI_(15N_13C): HMG_ACPI, [U-15N] and (13C), 1 mM; D2O 5%; DSS 0.15 mM; Glutamate 50 mM; Arginine 50 mM; H2O 95%

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 291 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCholo-ACPI_15Nisotropicsample_conditions_1
3D HNCACBholo-ACPI_(15N_13C)isotropicsample_conditions_1
3D HNCOholo-ACPI_(15N_13C)isotropicsample_conditions_1
3D HNCACOholo-ACPI_(15N_13C)isotropicsample_conditions_1
3D H(CCO)NH-TOCSYholo-ACPI_(15N_13C)isotropicsample_conditions_1
3D (H)C(CCO)NH-TOCSYholo-ACPI_(15N_13C)isotropicsample_conditions_1
3D 1H-13C NOESYholo-ACPI_13Cisotropicsample_conditions_1
3D 1H-15N NOESYholo-ACPI_15Nisotropicsample_conditions_1
(H)CB(CGCC- TOCSY)Harholo-ACPI_(15N_13C)isotropicsample_conditions_1
F1-13C/15N-filtered, F3-13C-seperated NOESY-HSQCHMG-ACPI_(15N_13C)isotropicsample_conditions_1
2D F1/F2-13C/15N double-filtered NOESYHMG-ACPI_(15N_13C)isotropicsample_conditions_1

Software:

CYANA v2.1 and 3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz
  • Bruker Avance 950 MHz

Related Database Links:

BMRB 17906
PDB

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts